8VGU
Crystal structure of BcTSPO/Hematin complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-03-20 |
| Detector | DECTRIS PILATUS 12M |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.523, 46.983, 67.853 |
| Unit cell angles | 90.00, 92.28, 90.00 |
Refinement procedure
| Resolution | 29.162 - 2.030 |
| R-factor | 0.2196 |
| Rwork | 0.218 |
| R-free | 0.25340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ryo |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.815 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.270 |
| High resolution limit [Å] | 2.030 | 2.030 |
| Rmerge | 0.107 | 0.499 |
| Number of reflections | 22098 | 3444 |
| <I/σ(I)> | 42.6 | |
| Completeness [%] | 99.2 | |
| Redundancy | 1.8 | |
| CC(1/2) | 0.996 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 5.6 | 293 | 0.1 M sodium chloride, 0.02 M Sodium citrate, pH5.6, 5.5% w/v PEG3350 |
